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Open AccessArticle

Lipophilicity as a Central Component of Drug-Like Properties of Chalchones and Flavonoid Derivatives

1
Department of Chemistry, Faculty of Pharmacy, Iuliu Hatieganu University, 400012 Cluj-Napoca, Romania
2
Department of Chemistry, Faculty of Chemistry and Chemical Engineering, Babes-Bolyai University, 400028 Cluj-Napoca, Romania
3
National Institute for Research & Development of Isotopic and Molecular Technologies 67-103 Donath street, 400293 Cluj-Napoca, Romania
*
Author to whom correspondence should be addressed.
Molecules 2019, 24(8), 1505; https://doi.org/10.3390/molecules24081505
Received: 11 March 2019 / Revised: 4 April 2019 / Accepted: 10 April 2019 / Published: 17 April 2019
(This article belongs to the Special Issue Receptor-Dependent QSAR Methods)
Lipophilcity is an important physico-chemical parameter that influences membrane transport and binding ability to action. Migration distance following complete elution of compounds was used to calculate different lipophilicity-related parameters. The aim of this study is to show that lipophilicity is a central component of thiazole chalcones and flavonoid derivatives regarding their drug-like properties. Experimental and computational methods were used. This study considers 44 previously synthesized compounds (thiazole chalcones, flavanones, flavones, 3-hydroxyflavones, and their acetylated derivatives). The concerned compounds have shown antitumoral hallmarks and antibacterial activity in vitro. The experimental method used to determine compounds’ lipophilicity was the reverse-phase thin layer chromatography (RP-TLC). Lipophilicity related parameters—isocratic retention factor (RM), relative lipophily (RM0), slope (b), chromatographic hydrophobic index (φ0), scores of principal components (PC1/RM)—were determined based on reverse-phase chromatography results. View Full-Text
Keywords: lipophilicity; retention factor; chalcones; QSAR; chromatography; drug design lipophilicity; retention factor; chalcones; QSAR; chromatography; drug design
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MDPI and ACS Style

Constantinescu, T.; Lungu, C.N.; Lung, I. Lipophilicity as a Central Component of Drug-Like Properties of Chalchones and Flavonoid Derivatives. Molecules 2019, 24, 1505.

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